SCHEMBL719375

SCHEMBL719375

C=Cc1c(N)nc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.41
CFTR P13569 1/20 0.40
DPP4 P27487 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
TPH1 P17752 2/20 0.38
PLAU P00749 1/20 0.38
IKBKB O14920 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
SCN9A Q15858 3/20 0.37
FPR2 P25090 1/20 0.37
CISD2 Q8N5K1 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GSTO1 P78417 1/20 0.37
MAPT P10636 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL718191 0.87 ADORA3 (0.40) ADORA3CFTRDPP4PDGFRBKDR
SCHEMBL10286724 0.87 ADORA3 (0.40) ADORA3CFTRDPP4PDGFRBKDR
SCHEMBL717010 0.87 ADORA3 (0.46) ADORA3CFTRKDRTLR7SCN9A
SCHEMBL718190 0.87 ADORA3 (0.40) ADORA3CFTRDPP4PDGFRBKDR
SCHEMBL718383 0.87 LMNA (0.41) ADORA3IKBKBSCN9AFPR2SMN1; SMN2
SCHEMBL16035755 0.87 KDM4E (0.40) SMN1; SMN2KDM4EALDH1A1PKML3MBTL1
SCHEMBL719539 0.87 CA12 (0.47) GAASMN1; SMN2KDM4EALDH1A1PKM
SCHEMBL720191 0.85 KDM4E (0.41) ADORA3SMN1; SMN2KDM4EALDH1A1PKM
SCHEMBL721162 0.85 KDM4E (0.51) ADORA3SMN1; SMN2KDM4EALDH1A1PKM
SCHEMBL16047514 0.85 KCNH2 (0.42) SCN9AFPR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
EP-2396306-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2011-12-21 EP disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 WO disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP ADORA3 445/4885CFTR 4034/4885DPP4 913/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.